2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide

C15H21ClN2O3S — CID 53278340

IUPAC2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(Cl)c(C(=O)NC2CCCCC2)c1)S(C)(=O)=O
InChIInChI=1S/C15H21ClN2O3S/c1-18(22(2,20)21)12-8-9-14(16)13(10-12)15(19)17-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,17,19)
InChIKeyCAZNFHMDOAJSNY-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide

2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 53278340) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide
PubChem CID53278340
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(Cl)c(C(=O)NC2CCCCC2)c1)S(C)(=O)=O
InChIInChI=1S/C15H21ClN2O3S/c1-18(22(2,20)21)12-8-9-14(16)13(10-12)15(19)17-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,17,19)
InChIKeyCAZNFHMDOAJSNY-UHFFFAOYSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
2-chloro-N-ethyl-5-[methyl(methylsulfonyl)amino]benzamide
CID 53278410
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
CID 167056111
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
CID 43016627
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 113154945
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 27537238
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide (CID 53278340) is 2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(Cl)c(C(=O)NC2CCCCC2)c1)S(C)(=O)=O.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is CAZNFHMDOAJSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-18(22(2,20)21)12-8-9-14(16)13(10-12)15(19)17-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide?
2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 344.86 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 53278340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).